Information card for entry 7711832

Structure parameters

• Formula: C48 H50 P2 Se
• Calculated formula: C48 H50 P2 Se
• Title of publication: Deoxygenation of chalcogen oxides EO2 (E = S, Se) with phospha-Wittig reagents
• Authors of publication: Dankert, Fabian; Gupta, Priyanka; Wellnitz, Tim; Baumann, Wolfgang; Hering-Junghans, Christian
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.8943 ± 0.0014 Å
• b: 20.007 ± 0.003 Å
• c: 16.3852 ± 0.0019 Å
• α: 90°
• β: 108.913 ± 0.008°
• γ: 90°
• Cell volume: 3998.8 ± 0.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.122
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.793
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No